| Literature DB >> 22200051 |
Qintian Ma1, Qingyuan Yang, Aziz Ghoufi, Gérard Férey, Chongli Zhong, Guillaume Maurin.
Abstract
Molecular dynamics simulations evidenced a structural transition of the flexible MIL-53(Cr) under a relatively moderate applied pressure ~50 MPa. The incorporation of CO(2) within its porosity significantly shifts the onset of such a transformation at lower pressure while it decreases the bulk modulus of this solid.Entities:
Year: 2011 PMID： 22200051 DOI： 10.1039/c2dt12002j
Source DB: PubMed Journal: Dalton Trans ISSN： 1477-9226 Impact factor: 4.390